3-chloro-6-hexyl-2,3,4,6,7,8a,9,10,11,12-decahydro-1H-benzo[j]quinolizin-8-one
| Internal ID | ef9ee855-fd4f-4dc3-ad22-093efe140bc4 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 3-chloro-6-hexyl-2,3,4,6,7,8a,9,10,11,12-decahydro-1H-benzo[j]quinolizin-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H32ClNO/c1-2-3-4-5-8-16-13-18(22)17-9-6-7-11-19(17)12-10-15(20)14-21(16)19/h15-17H,2-14H2,1H3 |
| InChI Key | GMYMXBPMBUGRPG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32ClNO |
| Molecular Weight | 325.90 g/mol |
| Exact Mass | 325.2172423 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 3-chloro-6-hexyl-2,3,4,6,7,8a,9,10,11,12-decahydro-1H-benzo[j]quinolizin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-6-hexyl-234678a9101112-decahydro-1h-benzojquinolizin-8-one.jpg "2D Structure of 3-chloro-6-hexyl-2,3,4,6,7,8a,9,10,11,12-decahydro-1H-benzo[j]quinolizin-8-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.60% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.85% | 97.25% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 97.51% | 91.81% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.60% | 93.67% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.98% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.93% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.66% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.54% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.21% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.16% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.91% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.41% | 98.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.12% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.22% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.18% | 93.00% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.14% | 92.12% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.05% | 95.50% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.73% | 97.64% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.41% | 90.24% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.07% | 95.88% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.12% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.35% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.01% | 82.69% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.74% | 94.78% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.24% | 97.50% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.77% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.69% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.04% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.99% | 94.66% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.94% | 95.38% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 81.76% | 95.27% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.43% | 97.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.03% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74000122 |
| LOTUS | LTS0093379 |
| wikiData | Q105012252 |